3-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC3=C(C(=C2)Cl)OCO3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC3=C(C(=C2)Cl)OCO3)CCC(=O)O

InChI

InChI=1S/C16H15ClN2O5S/c1-8-10(2-3-13(20)21)15(22)19-16(18-8)25-6-9-4-11(17)14-12(5-9)23-7-24-14/h4-5H,2-3,6-7H2,1H3,(H,20,21)(H,18,19,22)